Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.3345   -0.1888    0.1832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2005   -0.8334    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9350   -0.1261    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8109    1.2435    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359    1.8790    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943    1.1458   -0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029   -0.2272   -0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706   -0.8316   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524   -1.0381   -0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974   -0.7186    0.1983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4471    0.8867    0.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2268   -1.9022   -0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7024    1.8596    0.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5198    2.9430    0.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5804    1.5891   -0.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649   -1.9188   -0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1874   -0.9048   -1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5256   -2.1095   -0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4205   -0.7476    0.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers